Geometry & MOs

Info

ID:	333865
PubChem CID:	127252417
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-35.02
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=NC(=C1)CC2CN(CCOC2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations